methyl 3-{3-(2H-1,3-benzodioxol-5-yl)-2-[(5-bromofuran-2-carbonyl)amino]prop-2-enamido}benzoate
Chemical Structure Depiction of
methyl 3-{3-(2H-1,3-benzodioxol-5-yl)-2-[(5-bromofuran-2-carbonyl)amino]prop-2-enamido}benzoate
methyl 3-{3-(2H-1,3-benzodioxol-5-yl)-2-[(5-bromofuran-2-carbonyl)amino]prop-2-enamido}benzoate
Compound characteristics
| Compound ID: | 3379-2313 |
| Compound Name: | methyl 3-{3-(2H-1,3-benzodioxol-5-yl)-2-[(5-bromofuran-2-carbonyl)amino]prop-2-enamido}benzoate |
| Molecular Weight: | 513.3 |
| Molecular Formula: | C23 H17 Br N2 O7 |
| Smiles: | COC(c1cccc(c1)NC(/C(=C\c1ccc2c(c1)OCO2)NC(c1ccc(o1)[Br])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5806 |
| logD: | 3.9175 |
| logSw: | -4.52 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.469 |
| InChI Key: | VTZCCXGJAZBSQS-UHFFFAOYSA-N |